zinc methyl 3,5-dimethoxy-4-[10,15,20-tris(2,6-dimethoxy-4-methoxycarbonyl-phenyl)porphyrin-22,24-diid-5-yl]benzoate

Systemtic Name: zinc methyl 3,5-dimethoxy-4-[10,15,20-tris(2,6-dimethoxy-4-methoxycarbonyl-phenyl)porphyrin-22,24-diid-5-yl]benzoate Openeye Name: zinc methyl 3,5-dimethoxy-4-[10,15,20-tris(2,6-dimethoxy-4-methoxycarbonyl-phenyl)porphyrin-22,24-diid-5-yl]benzoate CAS Name: zinc 3,5-dimethoxy-4-[10,15,20-tris(2,6-dimethoxy-4-methoxycarbonylphenyl)-5-porphyrin-22,24-diidyl]benzoic acid methyl ester IUPAC Name: zinc methyl 3,5-dimethoxy-4-[10,15,20-tris(2,6-dimethoxy-4-methoxycarbonylphenyl)porphyrin-22,24-diid-5-yl]benzoate Traditional Name: zinc 3,5-dimethoxy-4-[10,15,20-tris(4-carbomethoxy-2,6-dimethoxy-phenyl)porphine-22,24-diid-5-yl]benzoic acid methyl ester Formula: C60H52N4O16Zn MolecularWeight: 1150.48108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=C(C=C(C=C7OC)C(=O)OC)OC)C8=C(C=C(C=C8OC)C(=O)OC)OC)C=C4)C9=C(C=C(C=C9OC)C(=O)OC)OC)[N-]3)OC)C(=O)OC.[Zn+2]

Isomeric SMILES

COC1=CC(=CC(=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=C(C=C(C=C7OC)C(=O)OC)OC)C8=C(C=C(C=C8OC)C(=O)OC)OC)C=C4)C9=C(C=C(C=C9OC)C(=O)OC)OC)[N-]3)OC)C(=O)OC.[Zn+2]

InChI

InChI=1S/C60H53N4O16.Zn/c1-69-41-21-29(57(65)77-9)22-42(70-2)53(41)49-33-13-15-35(61-33)50(54-43(71-3)23-30(58(66)78-10)24-44(54)72-4)37-17-19-39(63-37)52(56-47(75-7)27-32(60(68)80-12)28-48(56)76-8)40-20-18-38(64-40)51(36-16-14-34(49)62-36)55-45(73-5)25-31(59(67)79-11)26-46(55)74-6;/h13-28H,1-12H3,(H-,61,62,63,64,65,66,67,68);/q-1;+2/p-1